SCHEMBL9741193

SCHEMBL9741193

CCCc1ccc2oc(C(=O)c3ccc(OC)cc3)c(C)c2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.61
▸ KDM4E B2RXH2 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CYP2C9 P11712 2/20 0.45
▸ HPGD P15428 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ SLC22A12 Q96S37 2/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9739430 0.85 ALOX5 (0.53) ALOX5KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9740982 0.85 NPC1 (0.56) ALOX5KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9739585 0.84 ALOX5 (0.46) ALOX5KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9740108 0.83 ALOX5 (0.43) ALOX5KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9740227 0.82 ALOX5 (0.65) ALOX5KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9739971 0.80 ALOX5 (0.54) ALOX5MAPTRAB9AALOX15SLC22A12
SCHEMBL10738818 0.77 RAB9A (0.60) ALOX5KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9740048 0.76 MAPT (0.56) ALOX5KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL9740040 0.76 ALOX5 (1.00) ALOX5ALOX15
SCHEMBL9739471 0.76 ALOX5 (0.82) ALOX5ALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 — — US disclosed
EP-0338782-A1 Benzofuran derivatives MERCK FROSST CANADA INC. (CA) 1989-10-25 — — EP disclosed
US-4863958-A TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION MERCK FROSST CANADA, INC. (CA) 1989-09-05 — — US disclosed
EP-0165810-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES MERCK FROSST CANADA INC. (CA) 1989-08-23 — — EP disclosed
EP-0165810-A2 Benzofuran and benzothiophene derivatives, their use in inhibiting mammalian leukotriene biosynthesis, and pharmaceutical compositions containing these derivatives MERCK FROSST CANADA INC. (CA) 1985-12-27 — — EP disclosed
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